ethyl 4-(3,4-dimethoxyphenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H21N3O5S2/c1-4-29-20(26)18-14(13-6-7-15(27-2)16(10-13)28-3)11-30-19(18)24-17(25)12-31-21-22-8-5-9-23-21/h5-11H,4,12H2,1-3H3,(H,24,25)